SCHEMBL30317078

SCHEMBL30317078

CCCC(Cn1cnc2cccc(C(F)(F)F)c21)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRPS1 P60891 1/20 0.41
▸ SLC6A4 P31645 11/20 0.41
▸ SLC6A3 Q01959 16/20 0.37
▸ SLC6A2 P23975 14/20 0.37
▸ AR P10275 1/20 0.36
▸ HTR1A P08908 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25922298 0.69 PRPS1 (0.41) PRPS1ARHTR1A
SCHEMBL3037931 0.67 PRPS1 (0.54) PRPS1AR
SCHEMBL3037828 0.65 AR (0.47) PRPS1AR
SCHEMBL31698451 0.65 ESR1 (0.41) PRPS1AR
SCHEMBL30317164 0.63 PRPS1 (0.53) PRPS1SLC6A4SLC6A2AR
SCHEMBL3302667 0.61 SLC6A3 (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL4877523 0.60 KMT2A (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL898138 0.59 SLC6A3 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL27625206 0.59 AR (0.40) PRPS1AR
SCHEMBL5377115 0.58 AGER (0.41) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 PRPS1 4815/4885SLC6A4 4195/4885SLC6A3 4188/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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